SCHEMBL459037

SCHEMBL459037

COc1cccc(Cl)c1C=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ERN1 O75460 3/20 0.47
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
NFE2L2 Q16236 6/20 0.45
KCNH2 Q12809 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL170690 0.85 ERN1 (0.55) ALDH1A1TDP1ERN1TLR2TLR1
SCHEMBL273973 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATDP1NFE2L2
SCHEMBL13101273 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATDP1ERN1
Bromomethane SCHEMBL28079811 0.81 ERN1 (0.52) ALDH1A1ERN1TLR2TLR1TLR6
SCHEMBL27685686 0.81 ERN1 (0.52) ALDH1A1ERN1TLR2TLR1TLR6
SCHEMBL8732652 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATDP1ERN1
SCHEMBL20541205 0.80 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATDP1ERN1
SCHEMBL18718123 0.80 NFE2L2 (0.41) ALDH1A1MEN1KMT2ATDP1NFE2L2
SCHEMBL4542724 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL96214 0.78 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATDP1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 162 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110606855-B Polysubstituted benzothienoisoquinoline, derivative and synthesis method thereof 湘潭大学 2022-03-18 CN claimed
CN-110606855-A Polysubstituted benzothienoisoquinoline, derivative and synthesis method thereof 湘潭大学 2019-12-24 CN claimed
EP-4725942-A1 COMPOUNDS ACTIVE ON CYCLIN D1 PATHWAY AND THEIR USE Sibylla Biotech S.p.A. (IT) 2026-04-15 EP disclosed
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 US disclosed
CN-119816484-A Novel piperazine derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2025-04-11 CN disclosed
CN-118496215-A Polyhydroxylated onium derivative with disubstituted benzene ring, preparation method and medical application thereof 中国药科大学 2024-08-16 CN disclosed
CN-117624148-A Polyhydroxy sulfonium salt derivative with disubstituted benzene ring, preparation method and medical application thereof 中国药科大学 2024-03-01 CN disclosed
WO-2024043334-A1 NOVEL PIPERAZINE DERIVATIVE OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION 富士フイルム株式会社 2024-02-29 WO disclosed
US-11912721-B2 Fused pentacyclic imidazole derivatives UCB Biopharma SRL (BE) 2024-02-27 US disclosed
CN-107635974-B 2- (phenoxy or phenylthio) pyrimidine derivatives as herbicides FMC公司 2022-12-20 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2001004096-A2 N-CYCLOALKYL-3-ALKENYLBENZOYL-PYRAZOLE DERIVATIVES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-01-18 WO disclosed
WO-2001004095-A2 Α-α'-SUBSTITUTED N-ALKYL-3-ALKENYLBENZOYL-PYRAZOL-DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-01-18 WO disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
US-4448971-A Hypoglycemic 5-phenyl-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1984-05-15 US disclosed
US-4407811-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-10-04 US disclosed
US-4399296-A TRIMETHYLSILYL CYANOHYDRIN INTERMEDIATES PFIZER INC. (US) 1983-08-16 US disclosed
US-4367234-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11912721-B2 Fused pentacyclic imidazole derivatives TNF, NFKBIA, TNFRSF1A ALDH1A1 367/4885MEN1 1924/4885KMT2A 2464/4885
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION ABCB11, ABCC1, SLC11A2 ALDH1A1 774/4885MEN1 3362/4885KMT2A 1705/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.